9-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-1-oxa-4,9-diazaspiro[5.5]undecane

C26H27FN6O2 — CID 25144807

IUPAC9-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCOc1cc(-c2c(-c3ccc(F)cc3)nc3ccc(N4CCC5(CC4)CNCCO5)nn23)ccn1
InChIInChI=1S/C26H27FN6O2/c1-34-23-16-19(8-11-29-23)25-24(18-2-4-20(27)5-3-18)30-21-6-7-22(31-33(21)25)32-13-9-26(10-14-32)17-28-12-15-35-26/h2-8,11,16,28H,9-10,12-15,17H2,1H3
InChIKeyOCBQAIFERYNRBK-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.56
Rot. Bonds4

About 9-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-1-oxa-4,9-diazaspiro[5.5]undecane

9-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 25144807) has the molecular formula C26H27FN6O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is 9-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID25144807
Molecular FormulaC26H27FN6O2
Molecular Weight474.54 g/mol
Exact Mass474.22
IUPAC Name9-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCOc1cc(-c2c(-c3ccc(F)cc3)nc3ccc(N4CCC5(CC4)CNCCO5)nn23)ccn1
InChIInChI=1S/C26H27FN6O2/c1-34-23-16-19(8-11-29-23)25-24(18-2-4-20(27)5-3-18)30-21-6-7-22(31-33(21)25)32-13-9-26(10-14-32)17-28-12-15-35-26/h2-8,11,16,28H,9-10,12-15,17H2,1H3
InChIKeyOCBQAIFERYNRBK-UHFFFAOYSA-N
XLogP3.56
TPSA76.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 9-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-1-oxa-4,9-diazaspiro[5.5]undecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-1-oxa-4,9-diazaspiro[5.5]undecane (CID 25144807) is 9-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-1-oxa-4,9-diazaspiro[5.5]undecane is COc1cc(-c2c(-c3ccc(F)cc3)nc3ccc(N4CCC5(CC4)CNCCO5)nn23)ccn1.
What is the InChIKey of 9-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is OCBQAIFERYNRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O2/c1-34-23-16-19(8-11-29-23)25-24(18-2-4-20(27)5-3-18)30-21-6-7-22(31-33(21)25)32-13-9-26(10-14-32)17-28-12-15-35-26/h2-8,11,16,28H,9-10,12-15,17H2,1H3.
What are the key properties of 9-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
9-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 474.54 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 25144807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).